1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide

C17H27N7O3S — CID 122294278

IUPAC1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2c(C)nn(C)c2C)cc(N2CCOCC2)n1
InChIInChI=1S/C17H27N7O3S/c1-12-17(13(2)23(4)22-12)28(25,26)19-6-5-18-15-11-16(21-14(3)20-15)24-7-9-27-10-8-24/h11,19H,5-10H2,1-4H3,(H,18,20,21)
InChIKeyQUGUPIRYUCFNCL-UHFFFAOYSA-N
MW409.52 g/mol
LogP0.36
Rot. Bonds7

About 1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide (PubChem CID 122294278) has the molecular formula C17H27N7O3S and a molecular weight of 409.52 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide
PubChem CID122294278
Molecular FormulaC17H27N7O3S
Molecular Weight409.52 g/mol
Exact Mass409.19
IUPAC Name1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2c(C)nn(C)c2C)cc(N2CCOCC2)n1
InChIInChI=1S/C17H27N7O3S/c1-12-17(13(2)23(4)22-12)28(25,26)19-6-5-18-15-11-16(21-14(3)20-15)24-7-9-27-10-8-24/h11,19H,5-10H2,1-4H3,(H,18,20,21)
InChIKeyQUGUPIRYUCFNCL-UHFFFAOYSA-N
XLogP0.36
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 70702502
2-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 50945553
2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 121074892
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1-phenylmethanesulfonamide
CID 50947326
1-ethyl-2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122294298
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-4-nitrobenzenesulfonamide
CID 121074909
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870
1-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]imidazole-4-sulfonamide
CID 122326618
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide
CID 122294281
1,3,5-trimethyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
CID 122293924
1,3,5-trimethyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
CID 122326520
2-methyl-N-(2-methylpropyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112868035

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide (CID 122294278) is 1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide is Cc1nc(NCCNS(=O)(=O)c2c(C)nn(C)c2C)cc(N2CCOCC2)n1.
What is the InChIKey of 1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide?
The InChIKey is QUGUPIRYUCFNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O3S/c1-12-17(13(2)23(4)22-12)28(25,26)19-6-5-18-15-11-16(21-14(3)20-15)24-7-9-27-10-8-24/h11,19H,5-10H2,1-4H3,(H,18,20,21).
What are the key properties of 1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide has a molecular weight of 409.52 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 122294278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).